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Potassium Cation → 4-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

HRID 2162783
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반응식

HRID 2162783 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][Cl:24])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:39][CH2:40][C:41](=[O:42])[CH3:43].[I-:38].[K+:35].[K+:36].[K+:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][N:28]3[CH2:27][CH2:26][CH2:25][CH2:30][CH2:29]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1
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반응물 6

HCID 813Potassium Cation3회HCID 6569Methyl Ethyl KetoneHCID 8082PiperidineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 588178434-[4-(3-Chloro-propoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 58817841
4-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-e35db81cae464a8381dd3b551ffb951e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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